NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3173 8.2649 123.5842 50.3524 22.3691 180.5466 2 K 3.3916 8.7207 112.4608 55.9020 31.6174 173.3267 3 Q 5.1342 8.5466 135.0000 57.9190 32.2677 174.3789 4 S 4.1275 7.5926 112.6725 61.8049 63.4330 175.7209 5 M 4.2554 7.9899 118.8057 55.5604 31.6334 177.0584 6 K 4.2926 7.5318 119.1756 56.1697 32.4020 176.3618 7 A 4.6818 7.7357 118.9591 52.6345 21.2948 178.9506 8 R 4.0348 7.9068 115.1644 59.3836 30.0162 178.1007 9 E 3.8940 8.1039 119.0401 59.5080 29.3734 179.3040 10 V 3.4627 7.6951 117.5349 65.9277 31.6689 177.7168 11 K 3.8355 7.8459 117.8408 59.8692 31.7177 179.2651 12 R 3.8993 7.3027 116.4655 59.3362 29.6753 178.8194 13 V 3.6724 7.9582 118.4190 65.4118 31.5691 177.4661 14 A 4.0757 7.9778 119.9687 55.3446 18.1102 179.5926 15 L 3.7248 8.1776 115.9356 58.0306 39.4424 177.7314 16 A 5.0793 7.6818 119.5625 51.2321 19.2622 177.3956 17 D 4.6593 8.1189 118.4154 56.7757 42.0634 178.8024 18 K 4.4125 8.3695 115.4635 58.0608 33.6514 176.7043 19 Y 4.2784 8.3860 113.4825 57.9963 38.6470 177.2029 20 F 3.4408 10.0078 131.0728 60.8910 40.0166 176.5798 21 A 4.5214 7.5727 121.1576 52.2462 18.2301 176.1709 22 K 4.3659 7.6141 119.0975 56.1209 39.0400 176.4850 23 R 4.2462 8.7687 117.8051 56.6645 30.1493 177.6671 24 A 3.7504 7.5924 120.1214 55.5144 18.7376 178.8983 25 E 4.0676 8.0150 115.6309 58.0740 29.2567 178.9685 26 L 3.9776 7.0692 119.7074 57.8717 42.6216 178.4484 27 K 4.0936 7.8122 118.1220 60.0067 32.7722 178.7636 28 A 4.1243 8.1667 121.6517 54.2867 18.0433 179.5668 29 I 3.8313 7.1477 117.2794 64.2527 37.1121 178.2144 30 I 3.9856 7.4525 120.2775 64.2988 37.2052 178.2918 31 S 4.3411 7.9595 114.1769 59.8733 62.8689 174.1062 32 D 4.4938 8.1926 123.2743 53.7283 41.4034 178.2207 33 V 4.1548 8.2926 128.4686 62.8217 30.7521 177.6022 34 N 4.6999 9.1218 114.7854 52.5049 37.2240 175.5996 35 A 4.0826 8.4528 129.4983 53.2046 24.5668 179.7016 *40 R 4.2091 7.7315 113.5218 55.8549 31.9849 175.8589 41 W 4.6954 8.0812 127.7943 55.4857 32.2232 175.7840 42 N 4.4165 8.2931 123.2654 55.3361 38.1351 176.4567 43 A 4.2296 7.7881 120.0672 53.6132 18.9201 177.8644 44 V 4.2566 7.8474 113.8311 63.9675 33.7023 177.4641 45 L 4.0556 8.0608 119.7886 57.4459 42.0829 177.5706 46 K 4.2552 7.6027 116.8651 57.5137 32.7895 176.4002 47 L 4.4295 7.3384 121.2027 55.3755 41.8499 176.6165 48 Q 4.4694 7.9068 118.7537 56.8577 31.5344 175.6001 49 T 4.4184 7.7479 116.4667 62.6509 67.4540 173.3854 50 L 4.5745 7.7586 122.5545 56.5425 43.0772 175.4618 51 P 4.7745 0.0000 0.0000 63.2630 33.4696 173.8130 52 R 4.5148 7.5940 121.9845 57.3812 32.4062 175.2919 53 D 4.7817 8.2064 114.7668 54.3651 42.5120 176.6546 54 S 4.4145 7.3190 116.3559 55.6037 59.7927 172.3620 55 S 4.1439 7.0733 117.7392 55.8927 67.1240 174.2644 56 P 4.3592 0.0000 0.0000 66.1498 30.9916 177.7050 57 S 4.7259 7.2615 110.7131 58.5920 62.3887 174.6815 58 R 4.4988 7.6299 116.4314 55.5443 31.6099 175.2162 59 Q 4.4078 7.8933 118.0514 54.5853 29.9835 175.3312 60 R 4.2706 8.4110 118.5018 55.6429 29.9403 178.2441 61 N 3.9440 8.3362 121.5538 53.4216 37.7310 175.6890 62 R 3.7098 8.0997 115.8274 56.6675 29.8228 173.8446 63 C 4.9505 8.4213 117.3858 58.0943 33.5102 174.7249 64 R 3.9860 8.7044 127.7596 59.1613 29.2208 176.3052 65 Q 4.2534 7.2587 117.5986 57.6886 31.0244 178.0033 66 T 4.6356 7.5690 119.2099 61.3882 66.2962 175.9623 67 G 4.0334 9.1166 107.7763 45.9803 0.0000 171.1612 68 R 3.9035 7.9820 121.7474 55.1826 29.3040 174.5203 69 P 4.3190 0.0000 0.0000 64.8505 31.2671 176.4509 70 H 4.6924 8.0418 116.8007 55.2580 30.5298 175.2728 71 G 4.3785 8.7172 105.4445 46.6493 0.0000 172.5819 72 F 5.1305 7.6850 120.4602 56.5012 40.0672 174.8436 73 L 4.6811 7.6238 126.9604 52.6026 43.7709 177.1619 74 R 3.9485 8.8630 124.9065 59.2100 30.0957 177.3396 75 K 3.7084 7.7358 116.7580 58.0043 31.5376 176.0520 76 F 4.8066 7.6030 115.1550 56.7354 43.0862 175.2867 77 G 3.9028 7.6365 109.1551 46.6384 0.0000 172.3662 78 L 4.9873 7.4485 120.4753 53.0424 45.2667 176.1127 79 S 4.9180 8.1544 115.2705 58.2343 64.3016 176.0909 80 R 3.6474 8.1789 123.0092 57.4800 30.6003 178.0197 81 I 4.0409 7.4167 113.5329 62.9756 38.4973 178.5707 82 K 3.8995 8.8394 122.5719 59.5184 31.6118 178.8466 83 V 3.6444 7.6285 116.1506 64.5015 31.5485 176.2730 84 R 4.2739 7.4205 115.7726 58.8835 30.5481 177.4465 85 E 3.9419 8.4421 120.1064 59.0939 29.9955 179.4303 86 A 4.0748 7.5545 119.2937 54.9882 18.6316 179.3538 87 A 4.1192 7.2950 116.0595 54.7283 18.7593 179.1095 88 M 4.1209 8.1973 118.4775 57.7074 31.8948 178.4880 89 R 3.9217 7.8887 119.1747 59.2186 30.7999 176.8357 90 G 3.6289 7.6937 104.5974 45.6170 0.0000 175.2582 91 E 4.0271 7.5656 118.0413 57.9051 29.5826 176.7758 92 I 4.1891 7.3799 121.1480 58.8817 38.2134 173.9006 93 P 4.2745 0.0000 0.0000 63.6699 29.1833 172.4615 94 G 3.7730 8.3273 115.9112 46.0904 0.0000 169.5589 95 L 4.3036 7.6705 123.1279 53.8351 45.0427 173.8374 96 K 4.8348 8.3020 123.8376 54.5223 37.5466 176.8803 97 K 3.9113 9.1326 117.5662 57.4870 30.6962 178.0048 98 A 4.5961 8.3519 122.8820 51.8256 20.2819 179.5473 99 S 4.8507 8.0663 119.7601 56.9197 64.3179 174.4946 100 W 4.5045 8.9560 121.6457 56.7657 28.2097 176.5040 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.32 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.72 3.39 0.00 1.92 1.49 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.49 7.81 3 Q 8.55 5.13 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 4 S 7.59 4.13 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 M 7.99 4.26 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 6 K 7.53 4.29 0.00 1.87 1.97 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.38 7.81 7 A 7.74 4.68 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.91 4.03 0.00 1.99 1.95 0.00 3.14 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 9 E 8.10 3.89 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 10 V 7.70 3.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 11 K 7.85 3.84 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 12 R 7.30 3.90 0.00 1.90 1.96 0.00 3.11 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 13 V 7.96 3.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 14 A 7.98 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.18 3.72 0.00 1.44 1.67 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.68 5.08 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.12 4.66 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.37 4.41 0.00 1.94 1.85 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.91 1.65 7.81 19 Y 8.39 4.28 0.00 3.24 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 10.01 3.44 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.57 4.52 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.61 4.37 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.29 7.81 23 R 8.77 4.25 0.00 1.71 1.77 0.00 3.04 0.00 0.00 3.02 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 24 A 7.59 3.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.01 4.07 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 26 L 7.07 3.98 0.00 1.67 1.74 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.81 4.09 0.00 2.04 1.99 0.00 1.41 0.00 0.00 1.79 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.50 7.81 28 A 8.17 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.15 3.83 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.90 0.00 0.00 30 I 7.45 3.99 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.35 1.01 0.00 0.00 31 S 7.96 4.34 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.19 4.49 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.29 4.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 34 N 9.12 4.70 0.00 2.60 2.81 0.00 0.00 6.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.45 4.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 7.73 4.21 0.00 2.03 2.13 0.00 3.38 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 41 W 8.08 4.70 0.00 3.30 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.29 4.42 0.00 2.60 2.73 0.00 0.00 7.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.79 4.23 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.85 4.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 45 L 8.06 4.06 0.00 1.67 1.70 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.60 4.26 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.46 7.81 47 L 7.34 4.43 0.00 1.56 1.78 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.91 4.47 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.38 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 49 T 7.75 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 L 7.76 4.57 0.00 1.79 1.80 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.77 0.00 2.07 2.04 0.00 3.99 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.30 0.00 52 R 7.59 4.51 0.00 1.68 1.84 0.00 3.20 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 53 D 8.21 4.78 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.32 4.41 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.07 4.14 0.00 3.60 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.36 0.00 2.18 2.30 0.00 3.39 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 57 S 7.26 4.73 0.00 3.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.63 4.50 0.00 1.77 1.81 0.00 3.01 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 59 Q 7.89 4.41 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.43 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 60 R 8.41 4.27 0.00 1.84 2.04 0.00 3.18 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 61 N 8.34 3.94 0.00 1.90 1.74 0.00 0.00 7.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.10 3.71 0.00 1.89 1.99 0.00 3.41 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 63 C 8.42 4.95 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.70 3.99 0.00 1.90 2.30 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 65 Q 7.26 4.25 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 T 7.57 4.64 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 67 G 9.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.98 3.90 0.00 1.88 1.96 0.00 3.25 0.00 0.00 3.45 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 69 P 0.00 4.32 0.00 2.08 2.11 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 70 H 8.04 4.69 0.00 3.28 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.72 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.69 5.13 0.00 3.26 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.62 4.68 0.00 1.73 1.41 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.86 3.95 0.00 1.93 1.99 0.00 3.44 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 75 K 7.74 3.71 0.00 1.38 1.06 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.87 0.72 7.81 76 F 7.60 4.81 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.64 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.45 4.99 0.00 1.58 1.49 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.15 4.92 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.18 3.65 0.00 1.98 1.82 0.00 3.14 0.00 0.00 3.42 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 81 I 7.42 4.04 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.45 0.91 0.00 0.00 82 K 8.84 3.90 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.61 7.81 83 V 7.63 3.64 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 84 R 7.42 4.27 0.00 2.13 1.82 0.00 3.16 0.00 0.00 3.16 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 85 E 8.44 3.94 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 86 A 7.55 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.29 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.20 4.12 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.90 0.00 89 R 7.89 3.92 0.00 1.76 2.01 0.00 3.17 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 90 G 7.69 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.57 4.03 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 92 I 7.38 4.19 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.85 0.00 0.00 93 P 0.00 4.27 0.00 2.21 2.14 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 94 G 8.33 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.67 4.30 0.00 1.59 1.51 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.30 4.83 0.00 1.84 1.76 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.42 7.81 97 K 9.13 3.91 0.00 1.79 1.43 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.43 7.81 98 A 8.35 4.60 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.07 4.85 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.96 4.50 0.00 3.39 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.